X-Ray Diffraction Table

X-Ray Diffraction Table

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Minerals Arranged by X-Ray Powder Diffraction

See Help on X-Ray Diffraction.

Powder X-ray Diffraction (XRD) is one of the primary techniques used by mineralogists and solid state chemists to examine the physico-chemical make-up of unknown materials. This data is represented in a collection of single-phase X-ray powder diffraction patterns for the three most intense D values in the form of tables of interplanar spacings (D), relative intensities (I/Io), mineral name and chemical formulae

The XRD technique takes a sample of the material and places a powdered sample in a holder, then the sample is illuminated with x-rays of a fixed wave-length and the intensity of the reflected radiation is recorded using a goniometer. This data is then analyzed for the reflection angle to calculate the inter-atomic spacing (D value in Angstrom units - 10-8 cm). The intensity(I) is measured to discriminate (using I ratios) the various D spacings and the results are compared to this table to identify possible matches. Note: 2 theta (Θ) angle calculated from the Bragg Equation, 2 Θ = 2(arcsin(n λ/(2d)) where n=1;

For more information about this technique, see X-Ray Analysis of a Solid or take an internet course at Birkbeck College On-line Courses.  Many thanks to Frederic Biret for these data.

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Listing of 547 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.05172 AND d1 < 3.17628)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.052(29.24) 100 3.070(29.06) 100 4.195(21.16) 100 Anthoinite AlWO3(OH)3
3.052(29.24) 100 3.636(24.46) 40 1.817(50.17) 35 Graulichite-(Ce) CeFe+++3(AsO4)2(OH)6
3.052(29.24) 100 4.195(21.16) 100 3.070(29.06) 100 Anthoinite AlWO3(OH)3
3.052(29.24) 100 1.817(50.17) 40 2.239(40.25) 35 Graulichite-(Ce) CeFe+++3(AsO4)2(OH)6
3.053(29.23) 100 1.869(48.68) 90 1.595(57.75) 30 Calvertite Cu5Ge0.5S4
3.053(29.23) 100 2.687(33.32) 20 3.561(24.98) 15 Mosandrite Na(Na,Ca)2(Ca,Ce,Y)4(Ti,Nb,Zr)(Si2O7)2(O,F)2F3
3.053(29.23) 100 5.250(16.87) 80 2.954(30.23) 70 Hanawaltite Hg+6Hg++[Cl,(OH)]2O3
3.054(29.22) 100 1.869(48.68) 70 1.593(57.83) 70 Cesplumtantite (Cs,Na,Ca)2(Pb,Sb+++,Sn)3Ta8O24
3.054(29.22) 100 1.899(47.86) 32 1.560(59.18) 32 Paraniite-(Y) Ca2Y(AsO4)(WO4)2
3.054(29.22) 100 1.870(48.65) 70 1.595(57.75) 40 Germanite Cu26Fe4Ge4S32
3.054(29.22) 100 1.765(51.75) 80 2.842(31.45) 80 Girdite Pb3H2(Te++++O3)(Te++++++O6)
3.054(29.22) 100 1.593(57.83) 70 1.869(48.68) 70 Cesplumtantite (Cs,Na,Ca)2(Pb,Sb+++,Sn)3Ta8O24
3.054(29.22) 100 1.560(59.18) 32 1.899(47.86) 32 Paraniite-(Y) Ca2Y(AsO4)(WO4)2
3.054(29.22) 100 2.842(31.45) 80 1.765(51.75) 80 Girdite Pb3H2(Te++++O3)(Te++++++O6)
3.055(29.21) 100 3.489(25.51) 90 6.270(14.11) 80 Xanthoxenite Ca4Fe+++2(PO4)4(OH)2•3(H2O)
3.055(29.21) 100 3.122(28.57) 80 3.288(27.10) 60 Andremeyerite BaFe(Fe++,Mn,Mg)Si2O7
3.056(29.20) 100 3.286(27.11) 70 3.104(28.74) 70 Bertossaite Li2CaAl4(PO4)4(OH)4
3.056(29.20) 100 3.104(28.74) 70 3.286(27.11) 70 Bertossaite Li2CaAl4(PO4)4(OH)4
3.056(29.20) 100 6.560(13.49) 77 6.910(12.80) 55 Blatonite UO2CO3•(H2O)
3.056(29.20) 100 2.699(33.16) 60 2.749(32.54) 54 Sodic-ferripedrizite Na(LiNa)(Fe+++2Mg2Li)Si8O22(OH,F)2
3.056(29.20) 100 5.820(15.21) 90 4.680(18.95) 85 Yugawaralite CaAl2Si6O16•4(H2O)
3.057(29.19) 100 2.021(44.81) 68 1.680(54.58) 60 IMA2008-024 (Ca,Na,REE,[ ])7(Nb,Ti)[Si2O7]2OF3
3.058(29.18) 100 1.965(46.16) 100 3.240(27.51) 100 Fergusonite-beta-(Ce) (Ce,La,Nd)NbO4
3.058(29.18) 100 2.657(33.70) 70 3.032(29.43) 60 Samuelsonite (Ca,Ba)Ca8(Fe++,Mn)4Al2(PO4)10(OH)2
3.058(29.18) 100 2.230(40.41) 80 2.639(33.94) 75 Norbergite Mg3(SiO4)(F,OH)2
3.058(29.18) 100 2.815(31.76) 62 1.518(60.99) 55 Fersmanite Ca4(Na,Ca)4(Ti,Nb)4(Si2O7)2O8F3
3.059(29.17) 100 1.876(48.48) 70 1.602(57.48) 50 Isocubanite CuFe2S3
3.060(29.16) 100 6.159(14.37) 90 4.326(20.51) 80 Mccrillisite NaCs(Be,Li)Zr2(PO4)4•1-2(H2O)
3.060(29.16) 100 8.270(10.69) 80 3.270(27.25) 70 Gedrite [ ]Mg5Al2Si6Al2O22(OH)2
3.060(29.16) 100 2.130(42.40) 30 2.950(30.27) 30 Alforsite Ba5(PO4)3Cl
3.060(29.16) 100 5.980(14.80) 50 3.680(24.16) 30 Argentojarosite AgFe+++3(SO4)2(OH)6
3.060(29.16) 100 4.980(17.80) 100 2.070(43.69) 90 Ursilite (Mg,Ca)4[(UO2)4(OH)5/(Si2O5)5.5]•13(H2O)
3.060(29.16) 100 2.910(30.70) 70 1.854(49.10) 70 Cervantite Sb+++Sb+++++O4
3.060(29.16) 100 2.740(32.65) 90 2.860(31.25) 75 Rengeite Sr4ZrTi4Si4O22
3.060(29.16) 100 1.890(48.10) 50 1.870(48.65) 50 Briartite Cu2(Zn,Fe)GeS4
3.060(29.16) 100 2.480(36.19) 90 3.210(27.77) 40 Pottsite PbBiH(VO4)2•2(H2O)
3.060(29.16) 100 2.070(43.69) 100 2.300(39.13) 90 Ursilite (Mg,Ca)4[(UO2)4(OH)5/(Si2O5)5.5]•13(H2O)
3.060(29.16) 100 3.600(24.71) 100 3.090(28.87) 100 Ziesite Cu2V+++++2O7
3.060(29.16) 100 3.590(24.78) 40 2.240(40.23) 40 Nevskite Bi(Se,S)
3.060(29.16) 100 2.830(31.59) 100 2.700(33.15) 100 Saneroite Na2(Mn++,Fe+++)10Si11V+++++O34(OH)4
3.060(29.16) 100 2.950(30.27) 30 2.130(42.40) 30 Alforsite Ba5(PO4)3Cl
3.060(29.16) 100 4.870(18.20) 60 3.510(25.35) 55 Rowlandite-(Y) Y4Fe++Si4O14F2 (?)
3.060(29.16) 100 4.620(19.20) 90 2.480(36.19) 40 Pottsite PbBiH(VO4)2•2(H2O)
3.060(29.16) 100 3.010(29.65) 95 2.960(30.17) 65 Mimetite Pb5(AsO4)3Cl
3.060(29.16) 100 3.010(29.65) 95 2.960(30.17) 65 Clinomimetite Pb5(AsO4)3Cl
3.060(29.16) 100 3.000(29.76) 90 2.740(32.65) 75 Rengeite Sr4ZrTi4Si4O22
3.060(29.16) 100 2.850(31.36) 75 3.260(27.33) 70 Brabantite CaTh(PO4)2
3.060(29.16) 100 2.840(31.47) 90 4.600(19.28) 30 Lengenbachite Pb6(Ag,Cu)2As4S13
3.060(29.16) 100 2.608(34.36) 90 5.440(16.28) 80 Canaphite CaNa2P2O7•4(H2O)
3.060(29.16) 100 2.240(40.23) 40 3.590(24.78) 40 Nevskite Bi(Se,S)
3.060(29.16) 100 2.165(41.68) 70 3.540(25.14) 30 Clausthalite PbSe
3.060(29.16) 100 2.115(42.72) 50 3.350(26.59) 40 Saddlebackite Pb2Bi2Te2S3
3.060(29.16) 100 1.870(48.65) 80 1.595(57.75) 60 Renierite (Cu,Zn)11(Ge,As)2Fe4S16
3.060(29.16) 100 1.870(48.65) 50 1.890(48.10) 50 Briartite Cu2(Zn,Fe)GeS4
3.060(29.16) 100 1.869(48.68) 80 1.595(57.75) 40 Argentotennantite (Ag,Cu)10(Zn,Fe)2(As,Sb)4S13
3.060(29.16) 100 3.090(28.87) 100 3.600(24.71) 100 Ziesite Cu2V+++++2O7
3.060(29.16) 100 1.854(49.10) 70 2.910(30.70) 70 Cervantite Sb+++Sb+++++O4
3.060(29.16) 100 3.320(26.83) 100 2.730(32.78) 60 Tungstibite Sb2O3•WO3
3.060(29.16) 100 3.530(25.21) 90 3.380(26.35) 80 Ganomalite Pb9Ca5Mn++Si9O33
3.060(29.16) 100 3.630(24.50) 74 3.210(27.77) 54 Paderaite Cu7((Cu,Ag)0.33Pb1.33Bi11.33)13S22
3.060(29.16) 100 3.710(23.97) 65 3.280(27.16) 55 Allactite Mn7(AsO4)2(OH)8
3.060(29.16) 100 4.280(20.74) 74 4.460(19.89) 65 Bernardite Tl(As,Sb)5S8
3.060(29.16) 100 3.140(28.40) 21 2.959(30.18) 20 Senekevichite CsKNaCa2TiO[Si7O18(OH)]
3.061(29.15) 100 2.585(34.67) 70 2.841(31.46) 60 Goedkenite (Sr,Ca)2Al(PO4)2(OH)
3.062(29.14) 100 2.585(34.67) 90 3.442(25.86) 60 Trabzonite Ca4Si3O10•2(H2O)
3.062(29.14) 100 2.943(30.35) 35 3.259(27.34) 30 Cuspidine Ca4Si2O7(F,OH)2
3.062(29.14) 100 3.065(29.11) 100 2.730(32.78) 89 Dickinsonite-(KMnNa) KNaMnNa3Ca(Mn,Fe,Mg)13Al(PO4)11(PO4)(OH,F)2
3.062(29.14) 100 2.730(32.78) 100 2.730(32.78) 89 Dickinsonite-(KMnNa) KNaMnNa3Ca(Mn,Fe,Mg)13Al(PO4)11(PO4)(OH,F)2
3.064(29.12) 100 1.876(48.48) 70 1.611(57.13) 60 Gallite CuGaS2
3.064(29.12) 100 3.348(26.60) 80 4.654(19.05) 80 Rajite CuTe++++2O5
3.064(29.12) 100 4.654(19.05) 80 3.348(26.60) 80 Rajite CuTe++++2O5
3.065(29.11) 100 3.062(29.14) 100 2.730(32.78) 89 Dickinsonite-(KMnNa) KNaMnNa3Ca(Mn,Fe,Mg)13Al(PO4)11(PO4)(OH,F)2
3.065(29.11) 100 2.857(31.28) 90 4.162(21.33) 80 Monazite-(Sm) SmPO4
3.065(29.11) 100 3.147(28.34) 76 2.548(35.19) 29 Ameghinite NaB3O3(OH)4
3.066(29.10) 100 1.933(46.97) 55 2.546(35.22) 12 Tetrarooseveltite BiAsO4
3.066(29.10) 100 5.933(14.92) 95 1.829(49.81) 70 Plumbojarosite PbFe+++6(SO4)4(OH)12
3.066(29.10) 100 2.242(40.19) 70 3.583(24.83) 50 Nordstromite Pb3CuBi7(S10Se4)
3.067(29.09) 100 2.020(44.83) 80 1.910(47.57) 78 IMA2008-039 (NH4)3PbCl5
3.067(29.09) 100 1.910(47.57) 80 2.710(33.03) 78 IMA2008-039 (NH4)3PbCl5
3.067(29.09) 100 2.946(30.31) 31 2.744(32.61) 28 Massicot PbO
3.068(29.08) 100 7.350(12.03) 90 10.290(8.59) 80 Goldichite KFe+++(SO4)2•4(H2O)
3.068(29.08) 100 3.623(24.55) 92 3.995(22.23) 65 Manganonaujakasite Na6(Mn,Fe++ )Al4Si8O26
3.069(29.07) 100 4.250(20.88) 75 4.015(22.12) 70 Nepheline (Na,K)AlSiO4
3.070(29.06) 100 3.052(29.24) 100 4.195(21.16) 100 Anthoinite AlWO3(OH)3
3.070(29.06) 100 1.331(70.72) 100 1.884(48.27) 80 Maikainite Cu20(Fe,Cu)6Mo2Ge6S32
3.070(29.06) 100 3.590(24.78) 100 3.310(26.91) 100 Polylithionite KLi2AlSi4O10(F,OH)2
3.070(29.06) 100 2.260(39.86) 100 2.110(42.82) 90 Sobolevskite PdBi
3.070(29.06) 100 2.770(32.29) 100 3.210(27.77) 80 Talmessite Ca2Mg(AsO4)2•2(H2O)
3.070(29.06) 100 2.180(41.38) 30 2.160(41.78) 30 Stistaite SnSb
3.070(29.06) 100 5.960(14.85) 90 3.670(24.23) 60 Kintoreite PbFe+++3(PO4)2(OH,H2O)6
3.070(29.06) 100 1.843(49.41) 70 2.750(32.53) 50 Hauerite MnS2
3.070(29.06) 100 3.310(26.91) 100 3.590(24.78) 100 Polylithionite KLi2AlSi4O10(F,OH)2
3.070(29.06) 100 3.460(25.73) 84 3.260(27.33) 84 Lithosite K6Al4Si8O25•(H2O)
3.070(29.06) 100 3.260(27.33) 84 3.460(25.73) 84 Lithosite K6Al4Si8O25•(H2O)
3.070(29.06) 100 3.260(27.33) 90 2.860(31.25) 90 Cheralite-(Ce) (Ce,Ca,Th)(P,Si)O4
3.070(29.06) 100 3.100(28.77) 100 2.860(31.25) 80 Thoreaulite Sn++Ta2O6
3.070(29.06) 100 2.740(32.65) 60 2.080(43.47) 60 Chambersite Mn3B7O13Cl
3.070(29.06) 100 2.860(31.25) 90 3.260(27.33) 90 Cheralite-(Ce) (Ce,Ca,Th)(P,Si)O4
3.070(29.06) 100 1.880(48.37) 80 1.890(48.10) 60 Haycockite Cu4Fe5S8
3.070(29.06) 100 6.160(14.37) 85 3.210(27.77) 75 Kalipyrochlore (H2O,Sr)(Nb,Ti)(O,OH)6•(H2O,K)

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